3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one

C14H23NO — CID 104788401

IUPAC3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCCCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C14H23NO/c1-2-3-11-4-6-12(7-5-11)15-13-8-9-14(16)10-13/h10-12,15H,2-9H2,1H3
InChIKeyJCLSEPGOYUVGAS-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.18
Rot. Bonds4

About 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one

3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one (PubChem CID 104788401) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one
PubChem CID104788401
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one
SMILESCCCC1CCC(NC2=CC(=O)CC2)CC1
InChIInChI=1S/C14H23NO/c1-2-3-11-4-6-12(7-5-11)15-13-8-9-14(16)10-13/h10-12,15H,2-9H2,1H3
InChIKeyJCLSEPGOYUVGAS-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-(octylamino)cyclohex-2-en-1-one
CID 3448281
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
(E)-4-(2-ethylhexylamino)pent-3-en-2-one
CID 5355544
1,2,3,4,4a,5-Hexahydrocyclopenta[b]pyridin-6-one
CID 164669321
3-[(2,2,6,6-Tetramethylpiperidin-4-yl)amino]cyclopent-2-en-1-one
CID 5336435
3-[(2-Ethylhexyl)amino]-5,5-dimethyl-2-cyclohexen-1-one
CID 5095009
2-methyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 13283163
2-ethyl-4a,5,6,7,8,8a-hexahydro-1H-quinolin-4-one
CID 20757754
3-(Cyclopentylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 66701411
3-(2-Ethylhexylamino)cyclohex-2-en-1-one
CID 71226356
(E)-6-cyclohexyl-5-(methylamino)hex-5-en-2-one
CID 141773214
ethane;(Z)-5-[(3-methylcyclohexyl)methylamino]hex-4-en-3-one
CID 142284427

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one?
The IUPAC name of 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one (CID 104788401) is 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one?
The canonical SMILES for 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one is CCCC1CCC(NC2=CC(=O)CC2)CC1.
What is the InChIKey of 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one?
The InChIKey is JCLSEPGOYUVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-11-4-6-12(7-5-11)15-13-8-9-14(16)10-13/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one?
3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one has a molecular weight of 221.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylcyclohexyl)amino]cyclopent-2-en-1-one is sourced from PubChem (CID 104788401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).